2-N-(2-chlorophenyl)-4-N-(2-ethylphenyl)-6-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(2-chlorophenyl)-4-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-(4-methoxyphenyl)-2-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-(3-methoxyphenyl)-2-N-(2-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine

C94H90Cl2N24O2 — CID 158273774

About 2-N-(2-chlorophenyl)-4-N-(2-ethylphenyl)-6-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(2-chlorophenyl)-4-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-(4-methoxyphenyl)-2-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-(3-methoxyphenyl)-2-N-(2-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine

2-N-(2-chlorophenyl)-4-N-(2-ethylphenyl)-6-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(2-chlorophenyl)-4-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-(4-methoxyphenyl)-2-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-(3-methoxyphenyl)-2-N-(2-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 158273774) has the molecular formula C94H90Cl2N24O2 and a molecular weight of 1658.83 g/mol. Its IUPAC name is 2-N-(2-chlorophenyl)-4-N-(2-ethylphenyl)-6-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(2-chlorophenyl)-4-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-(4-methoxyphenyl)-2-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-(3-methoxyphenyl)-2-N-(2-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

• Compound Name: 2-N-(2-chlorophenyl)-4-N-(2-ethylphenyl)-6-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(2-chlorophenyl)-4-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-(4-methoxyphenyl)-2-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-(3-methoxyphenyl)-2-N-(2-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
• PubChem CID: 158273774
• Molecular Formula: C94H90Cl2N24O2
• Molecular Weight: 1658.83 g/mol
• Exact Mass: 1656.71
• IUPAC Name: 2-N-(2-chlorophenyl)-4-N-(2-ethylphenyl)-6-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(2-chlorophenyl)-4-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-(4-methoxyphenyl)-2-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-(3-methoxyphenyl)-2-N-(2-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
• SMILES: CCc1ccccc1Nc1nc(Nc2cccc(C)c2)nc(Nc2ccccc2Cl)n1.COc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(Nc3cccc(C)c3)n2)cc1.COc1cccc(Nc2nc(Nc3ccccc3)nc(Nc3ccccc3C)n2)c1.Cc1ccc(Nc2nc(Nc3cccc(C)c3)nc(Nc3ccccc3Cl)n2)cc1
• InChI: InChI=1S/C24H23ClN6.C24H24N6O.C23H21ClN6.C23H22N6O/c1-3-17-10-4-6-13-20(17)27-23-29-22(26-18-11-8-9-16(2)15-18)30-24(31-23)28-21-14-7-5-12-19(21)25;1-16-7-9-18(10-8-16)25-22-28-23(26-19-11-13-21(31-3)14-12-19)30-24(29-22)27-20-6-4-5-17(2)15-20;1-15-10-12-17(13-11-15)25-21-28-22(26-18-7-5-6-16(2)14-18)30-23(29-21)27-20-9-4-3-8-19(20)24;1-16-9-6-7-14-20(16)26-23-28-21(24-17-10-4-3-5-11-17)27-22(29-23)25-18-12-8-13-19(15-18)30-2/h4-15H,3H2,1-2H3,(H3,26,27,28,29,30,31);4-15H,1-3H3,(H3,25,26,27,28,29,30);3-14H,1-2H3,(H3,25,26,27,28,29,30);3-15H,1-2H3,(H3,24,25,26,27,28,29)
• InChIKey: GJIYHVQQMWHREJ-UHFFFAOYSA-N
• XLogP: 24.15
• TPSA: 317.50 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 26
• Rotatable Bonds: 27
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1658.83
LogP ≤ 5	24.15
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-chlorophenyl)-4-N-(2-ethylphenyl)-6-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(2-chlorophenyl)-4-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-(4-methoxyphenyl)-2-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-(3-methoxyphenyl)-2-N-(2-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine?

The IUPAC name of 2-N-(2-chlorophenyl)-4-N-(2-ethylphenyl)-6-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(2-chlorophenyl)-4-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-(4-methoxyphenyl)-2-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-(3-methoxyphenyl)-2-N-(2-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine (CID 158273774) is 2-N-(2-chlorophenyl)-4-N-(2-ethylphenyl)-6-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(2-chlorophenyl)-4-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-(4-methoxyphenyl)-2-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-(3-methoxyphenyl)-2-N-(2-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine.

What is the SMILES notation for 2-N-(2-chlorophenyl)-4-N-(2-ethylphenyl)-6-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(2-chlorophenyl)-4-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-(4-methoxyphenyl)-2-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-(3-methoxyphenyl)-2-N-(2-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine?

The canonical SMILES for 2-N-(2-chlorophenyl)-4-N-(2-ethylphenyl)-6-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(2-chlorophenyl)-4-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-(4-methoxyphenyl)-2-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-(3-methoxyphenyl)-2-N-(2-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine is CCc1ccccc1Nc1nc(Nc2cccc(C)c2)nc(Nc2ccccc2Cl)n1.COc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(Nc3cccc(C)c3)n2)cc1.COc1cccc(Nc2nc(Nc3ccccc3)nc(Nc3ccccc3C)n2)c1.Cc1ccc(Nc2nc(Nc3cccc(C)c3)nc(Nc3ccccc3Cl)n2)cc1.

What is the InChIKey of 2-N-(2-chlorophenyl)-4-N-(2-ethylphenyl)-6-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(2-chlorophenyl)-4-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-(4-methoxyphenyl)-2-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-(3-methoxyphenyl)-2-N-(2-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine?

The InChIKey is GJIYHVQQMWHREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6.C24H24N6O.C23H21ClN6.C23H22N6O/c1-3-17-10-4-6-13-20(17)27-23-29-22(26-18-11-8-9-16(2)15-18)30-24(31-23)28-21-14-7-5-12-19(21)25;1-16-7-9-18(10-8-16)25-22-28-23(26-19-11-13-21(31-3)14-12-19)30-24(29-22)27-20-6-4-5-17(2)15-20;1-15-10-12-17(13-11-15)25-21-28-22(26-18-7-5-6-16(2)14-18)30-23(29-21)27-20-9-4-3-8-19(20)24;1-16-9-6-7-14-20(16)26-23-28-21(24-17-10-4-3-5-11-17)27-22(29-23)25-18-12-8-13-19(15-18)30-2/h4-15H,3H2,1-2H3,(H3,26,27,28,29,30,31);4-15H,1-3H3,(H3,25,26,27,28,29,30);3-14H,1-2H3,(H3,25,26,27,28,29,30);3-15H,1-2H3,(H3,24,25,26,27,28,29).

What are the key properties of 2-N-(2-chlorophenyl)-4-N-(2-ethylphenyl)-6-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(2-chlorophenyl)-4-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-(4-methoxyphenyl)-2-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-(3-methoxyphenyl)-2-N-(2-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine?

2-N-(2-chlorophenyl)-4-N-(2-ethylphenyl)-6-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(2-chlorophenyl)-4-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-(4-methoxyphenyl)-2-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-(3-methoxyphenyl)-2-N-(2-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 1658.83 g/mol, XLogP of 24.15, 27 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(2-chlorophenyl)-4-N-(2-ethylphenyl)-6-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(2-chlorophenyl)-4-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-(4-methoxyphenyl)-2-N-(3-methylphenyl)-6-N-(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-(3-methoxyphenyl)-2-N-(2-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 158273774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).